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Structural, electronic, and dynamical properties of the tetragonal and collapsed tetragonal phases of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>KFe</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>As</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>
Compounds with a tetragonal ${\mathrm{ThCr}}_{2}{\mathrm{Si}}_{2}$-type structure are characterized by the possibility of the isostructural phase transition from the tetragonal phase to the collapsed tetragonal phase induced by the external pressure. An example of a compound with such a phase transition is ${\mathrm{KFe}}_{2}{\mathrm{As}}_{2}$, which belongs to the family of the iron-based …